%chk=000089417.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089417

0 1
 O   -4.357200     -0.8318000       2.044600    
 O   -1.879100      -1.973900       1.320600    
 O   -6.378800     -0.6140000      0.1639000    
 O   -5.722700     -0.1567000      -2.516200    
 N  -0.6972000      0.2838000      0.1111000    
 N    2.049700      0.2141000     -0.5377000    
 N    2.500800     -0.3125000      0.5047000    
 C   -4.124900      -1.298400      0.7163000    
 C   -2.622900      -1.192500      0.3849000    
 C   -5.015500     -0.4901000     -0.2462000    
 C   -2.106900      0.2506000      0.4348000    
 C   -4.898400     -0.9739000      -1.690900    
 C   5.8300000E-02   1.443400      9.6500002E-02
 C    1.431200       1.433900     -0.2242000    
 C    2.174900       2.613900     -0.2328000    
 C  -0.5393000       2.680900      0.4079000    
 C    1.561500       3.827300      7.8800000E-02
 C   0.2044000       3.860900      0.3991000    
 C    3.631000       2.581400     -0.5761000    
 C    2.334900       5.105200      7.6899998E-02
 C    3.120200      -1.534400      0.1913000    
 C    4.474600      -1.560100     -0.1270000    
 C    2.374700      -2.709300      0.2008000    
 C    5.089500      -2.772600     -0.4390000    
 C    2.989900      -3.921900     -0.1111000    
 C    4.347200      -3.953300     -0.4310000    
 H   -4.436000      -2.350100      0.7125000    
 H   -2.417900      -1.621600     -0.6018000    
 H   -4.799100      0.5807000     -0.1736000    
 H   -2.652400      0.8720000     -0.2816000    
 H   -2.253000      0.6511000       1.445000    
 H  -0.2262000     -0.5850000     -0.1170000    
 H   -3.878900     -0.9114000      -2.078300    
 H   -5.256900      -2.003000      -1.791300    
 H   -3.779000      -1.341700       2.637600    
 H   -2.202200      -2.889000       1.259900    
 H   -1.592800       2.759200      0.6629000    
 H   -6.920400     -0.1084000     -0.4661000    
 H  -0.2889000       4.798100      0.6428000    
 H    4.231300       2.555900      0.3391000    
 H    3.928300       3.450300      -1.171900    
 H    3.899300       1.713600      -1.187100    
 H    2.606500       5.387600     -0.9454000    
 H    1.750700       5.930100      0.5001000    
 H    3.240200       5.017300      0.6867000    
 H   -5.391100      0.7550000      -2.449300    
 H    5.060700     -0.6450000     -0.1345000    
 H    1.316900      -2.693800      0.4494000    
 H    6.146400      -2.797300     -0.6879000    
 H    2.412000      -4.841400     -0.1048000    
 H    4.826100      -4.897400     -0.6737000    


%chk=000089417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089417

0 1
O -4.358520 -1.554464 1.424712
O -1.806748 -2.187639 0.441523
O -6.433721 -1.283067 -0.632184
O -6.010139 0.570655 -2.638201
N -0.760045 0.330037 0.139483
N 1.848182 0.115214 0.212102
N 3.125816 -0.160534 0.061732
C -4.120906 -1.532126 -0.019938
C -2.633477 -1.178487 -0.279498
C -5.151842 -0.573332 -0.635505
C -2.201624 0.183257 0.289365
C -4.840724 -0.151117 -2.090740
C -0.056878 1.511946 0.230512
C 1.400651 1.448202 0.212481
C 2.187511 2.657129 0.242487
C -0.686702 2.782524 0.321992
C 1.522762 3.913011 0.309276
C 0.100218 3.943424 0.353404
C 3.702570 2.601824 0.226307
C 2.281613 5.232281 0.348093
C 3.428951 -1.561466 0.155324
C 2.535953 -2.569489 0.622207
C 4.750018 -1.919020 -0.227632
C 2.966464 -3.908838 0.685931
C 5.170662 -3.263818 -0.167971
C 4.280539 -4.264921 0.288439
H -4.313430 -2.537748 -0.458882
H -2.398260 -1.223979 -1.362919
H -5.215703 0.332748 0.009383
H -2.725778 0.982101 -0.270934
H -2.531232 0.254387 1.347540
H -0.182011 -0.517972 0.198574
H -3.925133 0.467243 -2.171640
H -4.746092 -1.039036 -2.738024
H -3.629282 -2.102332 1.821866
H -1.791430 -3.032512 -0.075096
H -1.776289 2.862218 0.377497
H -7.030556 -0.783622 -1.254038
H -0.399797 4.917730 0.421118
H 4.084420 1.913994 1.000874
H 4.143722 3.599089 0.376693
H 4.075657 2.183920 -0.725754
H 2.934910 5.364344 -0.534958
H 1.576811 6.081369 0.367999
H 2.926369 5.318061 1.243689
H -6.025347 1.493993 -2.278414
H 1.529462 -2.282191 0.942565
H 5.421013 -1.124061 -0.570334
H 2.284037 -4.682764 1.056758
H 6.189169 -3.531194 -0.470510
H 4.607685 -5.309173 0.344946


